Basic information
- Standard SMILES
CC(=O)CCc1cccc(C(F)(F)F)c1- InChIKey
MIWTUNDDNMDLDF-UHFFFAOYSA-N- Molecular formula
- C11H11F3O
- Average molar mass
- 216.2 g/mol
Names & identifiers
- Preferred name
- 4-[3-(Trifluoromethyl)phenyl]butan-2-one
- IUPAC
- 4-[3-(trifluoromethyl)phenyl]butan-2-one
Names & synonyms
4-[3-(trifluoromethyl)phenyl]butan-2-one67646-72-4Cinacalcet Impurity 1134-(3-(trifluoromethyl)phenyl)butan-2-oneSCHEMBL1509SCA64672AKOS0093913604-(3-trifluoromethylphenyl)-2-butanone4-(3-trifluoromethyl-phenyl)-butan-2-oneEN300-52740G26246Z406377044
Database identifiers
- PubChem CID
- 13339059
- Nikkaji
- J1.675.169C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Related reactions
12 records
Compound notes
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